CID 3020697

Auhgaasrwddcdd-uhfffaoysa-n

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CC1(C2=CC=CC=C2N(C1=CN=NC3=C(C=CC(=C3)[N+](=O)[O-])O)C)C
InChI
InChI=1S/C18H18N4O3/c1-18(2)13-6-4-5-7-15(13)21(3)17(18)11-19-20-14-10-12(22(24)25)8-9-16(14)23/h4-11,23H,1-3H3
InChIKey
AUHGAASRWDDCDD-UHFFFAOYSA-N
Compound name
4-nitro-2-[(1,3,3-trimethylindol-2-ylidene)methyldiazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.13788 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.145156 176.4
[M+Na]+ 361.127098 184.1
[M-H]- 337.130604 184.7
[M+NH4]+ 356.171703 192.9
[M+K]+ 377.101038 175.8
[M+H-H2O]+ 321.135140 172.6
[M+HCOO]- 383.136081 202.1
[M+CH3COO]- 397.151731 212.5
[M+Na-2H]- 359.112546 183.2
[M]+ 338.13733142 176.6
[M]- 338.13842858 176.6
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.