CID 135599771

Brn 4205734

Structural Information

Molecular Formula
C18H20ClN5O
SMILES
C/C(=N\N=C\C1=CC=C(C=C1)N(C)C)/C(=NC2=CC=C(C=C2)Cl)NO
InChI
InChI=1S/C18H20ClN5O/c1-13(18(23-25)21-16-8-6-15(19)7-9-16)22-20-12-14-4-10-17(11-5-14)24(2)3/h4-12,25H,1-3H3,(H,21,23)/b20-12+,22-13+
InChIKey
OMGPTMHMCPJWTI-OQQHTXQFSA-N
Compound name
(2E)-N'-(4-chlorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14293 188.4
[M+Na]+ 380.12487 193.1
[M-H]- 356.12837 198.6
[M+NH4]+ 375.16947 202.2
[M+K]+ 396.09881 189.7
[M+H-H2O]+ 340.13291 178.9
[M+HCOO]- 402.13385 214.1
[M+CH3COO]- 416.14950 232.1
[M+Na-2H]- 378.11032 191.8
[M]+ 357.13510 191.3
[M]- 357.13620 191.3
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.