CID 412043

Nsc 36888

Structural Information

Molecular Formula
C15H22Cl2N6
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)N(CCCl)CCCl)N)N)C
InChI
InChI=1S/C15H22Cl2N6/c1-15(2)21-13(18)20-14(19)23(15)12-5-3-11(4-6-12)22(9-7-16)10-8-17/h3-6H,7-10H2,1-2H3,(H4,18,19,20,21)
InChIKey
BXCJCYCMGXNFAV-UHFFFAOYSA-N
Compound name
1-[4-[bis(2-chloroethyl)amino]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13558 181.8
[M+Na]+ 379.11752 190.1
[M-H]- 355.12102 184.2
[M+NH4]+ 374.16212 193.7
[M+K]+ 395.09146 184.0
[M+H-H2O]+ 339.12556 173.0
[M+HCOO]- 401.12650 193.1
[M+CH3COO]- 415.14215 222.3
[M+Na-2H]- 377.10297 184.2
[M]+ 356.12775 183.6
[M]- 356.12885 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.