CID 3055406

72407-42-2

Structural Information

Molecular Formula
C21H26N4O2
SMILES
C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)N(C5=CC=CC=C45)C
InChI
InChI=1S/C21H26N4O2/c1-12-16-10-25-8-7-14-13-5-3-4-6-18(13)24(2)20(14)19(25)9-15(16)17(11-27-12)21(26)23-22/h3-6,11-12,15-16,19H,7-10,22H2,1-2H3,(H,23,26)/t12-,15-,16-,19-/m0/s1
InChIKey
CFLLOOJXXKLHBK-DLLGKBFGSA-N
Compound name
(1S,15S,16S,20S)-3,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 186.4
[M+Na]+ 389.19479 193.1
[M-H]- 365.19829 190.3
[M+NH4]+ 384.23939 199.9
[M+K]+ 405.16873 188.0
[M+H-H2O]+ 349.20283 177.2
[M+HCOO]- 411.20377 197.8
[M+CH3COO]- 425.21942 194.7
[M+Na-2H]- 387.18024 188.5
[M]+ 366.20502 183.5
[M]- 366.20612 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.